title: Selectivity sequences in a model calcium channel: role of electrostatic field strength.
abstract: The energetics that give rise to selectivity sequences of ionic binding selectivity of Li(+), Na(+), K(+), Rb(+), and Cs(+) in a model of a calcium channel are considered. This work generalizes Eisenman's classic treatment (Biophys J 2(Suppl. 2):259, 1962) by including multiple, mobile binding site oxygens that coordinate many permeating ions (all modeled as charged, hard spheres). The selectivity filter of the model calcium channel allows the carboxyl terminal groups of glutamate and aspartate side chains to directly interact with and coordinate the permeating ions. Ion dehydration effects are represented with a Born energy between the dielectric coefficients of the selectivity filter and the bath. High oxygen concentration creates a high field strength site that prefers small ions, as in Eisenman's model. On the other hand, a low filter dielectric constant also creates a high field strength site, but this site prefers large ions, contrary to Eisenman's model. These results indicate that field strength does not have a unique effect on ionic binding selectivity sequences once entropic, electrostatic, and dehydration forces are included in the model. Thus, Eisenman's classic relationship between field strength and selectivity sequences must be supplemented with additional information about selectivity filters such as the calcium channel that has amino acid side chains mixing with ions to make a crowded permeation pathway.
authors.affiliation: Department of Molecular Biophysics and Physiology, Rush University Medical Center, Chicago, IL, USA.
authors.forename: Daniel
authors.initials: D
authors.lastname: Krauss
authors.forename: Bob
authors.initials: B
authors.lastname: Eisenberg
authors.forename: Dirk
authors.initials: D
authors.lastname: Gillespie
mesh_terms: D001224:Aspartic Acid / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D015220:Calcium Channels / Q000737:chemistry / Q000378:metabolism*; D002412:Cations / Q000145:classification / Q000378:metabolism; D004563:Electrochemistry; D018698:Glutamic Acid / Q000737:chemistry / Q000378:metabolism; D015640:Ion Channel Gating; D008954:Models, Biological; D010100:Oxygen / Q000378:metabolism; D010539:Permeability; D055672:Static Electricity; D013816:Thermodynamics
chemical_list: D015220:Calcium Channels; D002412:Cations; D001224:Aspartic Acid; D018698:Glutamic Acid; D010100:Oxygen